CID 3056069

4-pteridinamine, 7-(4-(dimethylamino)phenyl)-

Structural Information

Molecular Formula
C14H14N6
SMILES
CN(C)C1=CC=C(C=C1)C2=CN=C3C(=NC=NC3=N2)N
InChI
InChI=1S/C14H14N6/c1-20(2)10-5-3-9(4-6-10)11-7-16-12-13(15)17-8-18-14(12)19-11/h3-8H,1-2H3,(H2,15,17,18,19)
InChIKey
BBMVWQGQKWFSQH-UHFFFAOYSA-N
Compound name
7-[4-(dimethylamino)phenyl]pteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

266.128 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13528 163.0
[M+Na]+ 289.11722 172.4
[M-H]- 265.12072 166.7
[M+NH4]+ 284.16182 174.9
[M+K]+ 305.09116 167.3
[M+H-H2O]+ 249.12526 151.9
[M+HCOO]- 311.12620 183.5
[M+CH3COO]- 325.14185 173.9
[M+Na-2H]- 287.10267 171.7
[M]+ 266.12745 162.9
[M]- 266.12855 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.